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Pluripotin (SC-1) 2mg

CAT: 0628-A11225-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A11225-2Size:2 mg
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CAS Number
839707-37-8

Chemical Information

Pluripotin

Pluripotin is a member of the class of pyrimidopyrimidines that is 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one substituted by methyl, 2-methyl-5-[3-(trifluoromethyl)benzamido]phenyl, and (1,3-dimethyl-1H-pyrazol-5-yl)amino group at positions 1, 3, and 7, respectively. It is a dual inhibitor of ERK1 and RasGAP. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, a member of benzamides, a member of pyrazoles, a member of toluenes, a pyrimidopyrimidine and a member of (trifluoromethyl)benzenes.

CAS Number839707-37-8
PubChem CID12003241
IUPAC NameN-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC27H25F3N8O2
Molecular Weight550.5
XLogP4
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity925
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CC(=NN5C)C
InChI
InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)
InChIKey
NBZFRTJWEIHFPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pluripotin
CAS: 839707-37-8
CID: 12003241
Formula: C27H25F3N8O2
MW: 550.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass550.20525656
Monoisotopic Mass550.20525656
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity925
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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